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Search term: c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O (Found by conversion of search term to chemical structure (full match))

4-sulfocalix[8]arene

Molecular FormulaC₅₆H₄₈O₃₂S₈
Average mass1489.481 Da
Monoisotopic mass1487.989380 Da
ChemSpider ID559131

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

137407-62-6 [RN]

49,50,51,52,53,54,55,56-Octahydroxynonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51) 
,34,36,39(50),40,42,45,47-tetracosaen-5,11,17,23,29,35,41,47-octasulfonsäure [German] [ACD/IUPAC Name]

49,50,51,52,53,54,55,56-Octahydroxynonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51) 
,34,36,39(50),40,42,45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid [ACD/IUPAC Name]

49,50,51,52,53,54,55,56-Octahydroxynonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid

4-sulfocalix[8]arene

Acide 49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30, 33(51),34,36,39(50),40,42,45,47-tétracosaène-5,11,17,23,29,35,41,47-octasulfonique [French] [ACD/IUPAC Name]

Nonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosa ;ene-5,11,17,23,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy- [ACD/Index Name]

nonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy-

,29,35,41,47-octasulfonic acid, 49,50,51,52,53,54,55,56-octahydroxy- (9CI)

[137407-62-6] [RN]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GL 2041 [DBID]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.8±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.721
Molar Refractivity:	329.7±0.4 cm³
#H bond acceptors:	32
#H bond donors:	16
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	3

ACD/LogP:	-14.47
ACD/LogD (pH 5.5):	-22.25
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-22.27
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	664 Å²
Polarizability:	130.7±0.5 10^-24cm³
Surface Tension:	91.4±3.0 dyne/cm
Molar Volume:	833.9±3.0 cm³

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4-sulfocalix[8]arene

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